Information card for entry 1503161

Structure parameters

• Formula: C27 H23 N2 O4.5
• Calculated formula: C27 H23 N2 O4.5
• SMILES: O.O=C1N(C(=C(C(=O)c2ccccc2)C(=O)c2ccccc2)C(=O)c2ccccc2)CCCN1
• Title of publication: An efficient synthesis of hydantoins via sustainable integration of coupled domino processes.
• Authors of publication: Gao, Meng; Yang, Yan; Wu, Yan-Dong; Deng, Cong; Shu, Wen-Ming; Zhang, Dong-Xue; Cao, Li-Ping; She, Neng-Fang; Wu, An-Xin
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 18
• Pages of publication: 4026 - 4029
• a: 11.301 ± 0.0018 Å
• b: 17.774 ± 0.003 Å
• c: 22.517 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4522.9 ± 1.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1653
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1499
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No